Geometry & MOs

Info

ID:	379348
PubChem CID:	134419112
Reduced:	O4H24C27 (1)
Stoich.:	A4B24C27 (1)
Weight, g/mol:	319.23
ΔH_f, kcal/mol:	-82.88
Dipole, Da:	3.53
IP(EA), eV:	-8.1(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7,7-dimethyl-2,3,4,5,6,8-hexahydro-1H-phenanthren-2-yl)-3-methylaniline

Drug info:

PubChemData

Smile

CC1(C=CC2=C(O1)C=CC3=C2OCC(=C3)C4=C(C=C(C=C4)O)OCC5=CC=CC=C5)C

DOS

IR

Vibrations